Author: bugman
Date: Mon Nov 25 15:39:43 2013
New Revision: 21646
URL: http://svn.gna.org/viewcvs/relax?rev=21646&view=rev
Log:
Added a MC simulation elimination section to the dispersion chapter of the
manual.
Modified:
branches/relax_disp/docs/latex/dispersion.tex
Modified: branches/relax_disp/docs/latex/dispersion.tex
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/docs/latex/dispersion.tex?rev=21646&r1=21645&r2=21646&view=diff
==============================================================================
--- branches/relax_disp/docs/latex/dispersion.tex (original)
+++ branches/relax_disp/docs/latex/dispersion.tex Mon Nov 25 15:39:43 2013
@@ -1250,6 +1250,20 @@
When not using the auto-analysis, custom model elimination rules can be
defined and used with the \uf{eliminate} user function.
+% MC elimination.
+%~~~~~~~~~~~~~~~~
+
+\subsection{Monte Carlo simulation elimination}
+
+Just as models can fail, often Monte Carlo simulations will also experience
optimisation failures (see Figure~4 of \citet{dAuvergneGooley06} for such a
failure in the model-free optimisation space).
+The minimum can be warped so much by the data randomisation that a new
minimum appears at an unreasonable position in the optimisation space.
+Even when the original model optimisation is successful, this can affect a
small portion of the simulations.
+These must be removed prior to calculating the parameter errors otherwise
the errors will be significantly over estimated.
+The simulation model failures are outliers which skew the error estimate,
introducing a bias.
+This can result in parameter error estimates which are too large.
+The solution is the use of the \uf{eliminate} user function when Monte Carlo
simulations are turned on -- this will automatically deselect simulations
rather than spins using the rules from the previous section.
+Note that relax is the only software which provides this feature.
+
% MPI.
%~~~~~
r21646 - /branches/relax_disp/docs/latex/dispersion.tex